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"results": [
{
"id": "mp-1020643",
"created_at": "2022-09-04T14:40:39.027094Z",
"structure_string": "Rb12 Zn4 B20 O40\n1.0\n9.543070 0.000000 0.000000\n0.000000 10.655676 0.000000\n0.000000 7.491801 11.419139\nRb Zn B O\n12 4 20 40\ndirect\n0.567609 0.302883 0.205190 Rb\n0.932391 0.302883 0.705190 Rb\n0.432391 0.697117 0.794810 Rb\n0.067609 0.697117 0.294810 Rb\n0.667908 0.553226 0.391623 Rb\n0.832092 0.553226 0.891623 Rb\n0.332092 0.446774 0.608377 Rb\n0.167908 0.446774 0.108377 Rb\n0.407743 0.001686 0.157686 Rb\n0.092257 0.001686 0.657686 Rb\n0.592257 0.998314 0.842314 Rb\n0.907743 0.998314 0.342314 Rb\n0.305036 0.321359 0.432185 Zn\n0.194964 0.321359 0.932185 Zn\n0.694964 0.678641 0.567815 Zn\n0.805036 0.678641 0.067815 Zn\n0.883191 0.380965 0.269939 B\n0.616809 0.380965 0.769939 B\n0.116809 0.619035 0.730061 B\n0.383191 0.619035 0.230061 B\n0.307084 0.079853 0.392690 B\n0.192916 0.079853 0.892690 B\n0.692916 0.920147 0.607310 B\n0.807084 0.920147 0.107310 B\n0.002537 0.327817 0.448894 B\n0.497463 0.327817 0.948894 B\n0.997463 0.672183 0.551106 B\n0.502537 0.672183 0.051106 B\n0.541364 0.136899 0.560603 B\n0.958636 0.136899 0.060603 B\n0.458636 0.863101 0.439397 B\n0.041364 0.863101 0.939397 B\n0.781458 0.184298 0.468653 B\n0.718542 0.184298 0.968653 B\n0.218542 0.815702 0.531347 B\n0.281458 0.815702 0.031347 B\n0.416318 0.183842 0.575082 O\n0.083682 0.183842 0.075082 O\n0.583682 0.816158 0.424918 O\n0.916318 0.816158 0.924918 O\n0.298597 0.230553 0.339506 O\n0.201403 0.230553 0.839506 O\n0.701403 0.769447 0.660494 O\n0.798597 0.769447 0.160494 O\n0.609304 0.238222 0.015728 O\n0.890696 0.238222 0.515728 O\n0.390696 0.761778 0.984272 O\n0.109304 0.761778 0.484272 O\n0.806053 0.251122 0.341348 O\n0.693947 0.251122 0.841348 O\n0.193947 0.748878 0.658652 O\n0.306053 0.748878 0.158652 O\n0.423838 0.018926 0.367185 O\n0.076162 0.018926 0.867185 O\n0.576162 0.981074 0.632815 O\n0.923838 0.981074 0.132815 O\n0.121208 0.334158 0.499718 O\n0.378792 0.334158 0.999718 O\n0.878792 0.665842 0.500282 O\n0.621208 0.665842 0.000282 O\n0.293527 0.980639 0.969454 O\n0.206473 0.980639 0.469454 O\n0.706473 0.019361 0.030546 O\n0.793527 0.019361 0.530546 O\n0.486703 0.583221 0.174683 O\n0.013297 0.583221 0.674683 O\n0.513297 0.416779 0.825317 O\n0.986703 0.416779 0.325317 O\n0.366597 0.533893 0.347130 O\n0.133403 0.533893 0.847130 O\n0.633403 0.466107 0.652870 O\n0.866597 0.466107 0.152870 O\n0.641960 0.232478 0.481575 O\n0.858040 0.232478 0.981575 O\n0.358040 0.767522 0.518425 O\n0.141960 0.767522 0.018425 O\n",
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"elements": [
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"B",
"O"
],
"chemical_system": "B-O-Rb-Zn",
"density": 3.0652019102901966,
"density_atomic": 0.06545022089506407,
"volume": 1161.1878303948022,
"volume_molar": 9.201100741363822,
"formula_full": "Rb12 Zn4 B20 O40",
"formula_reduced": "Rb3Zn(BO2)5",
"formula_anonymous": "AB3C5D10",
"energy": -548.7998925100001,
"energy_per_atom": -7.221051217236843,
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"updated_at": "2021-11-28T01:35:07.011000Z",
"spacegroup": 14
},
{
"id": "mp-705277",
"created_at": "2022-09-04T14:48:05.382024Z",
"structure_string": "Li8 Co4 P16 O48\n1.0\n10.283338 0.000000 0.000000\n0.000000 9.231897 0.000000\n0.000000 0.363328 9.420439\nLi Co P O\n8 4 16 48\ndirect\n0.317267 0.098702 0.493866 Li\n0.821708 0.595622 0.004268 Li\n0.321708 0.404378 0.495732 Li\n0.678292 0.595622 0.504268 Li\n0.817267 0.901298 0.006134 Li\n0.182733 0.098702 0.993866 Li\n0.682733 0.901298 0.506134 Li\n0.178292 0.404378 0.995732 Li\n0.302290 0.748134 0.517405 Co\n0.197710 0.748134 0.017405 Co\n0.697710 0.251866 0.482595 Co\n0.802290 0.251866 0.982595 Co\n0.893600 0.731149 0.302471 P\n0.388659 0.948950 0.792125 P\n0.393600 0.268851 0.197529 P\n0.611341 0.051050 0.207875 P\n0.470653 0.757917 0.230319 P\n0.970653 0.242083 0.269681 P\n0.029347 0.757917 0.730319 P\n0.396241 0.522275 0.793584 P\n0.606400 0.731149 0.802471 P\n0.896241 0.477725 0.706416 P\n0.888659 0.051050 0.707875 P\n0.103759 0.522275 0.293584 P\n0.111341 0.948950 0.292125 P\n0.603759 0.477725 0.206416 P\n0.529347 0.242083 0.769681 P\n0.106400 0.268851 0.697529 P\n0.280089 0.251865 0.100600 O\n0.729206 0.063274 0.112917 O\n0.626175 0.747681 0.645152 O\n0.126155 0.936296 0.133756 O\n0.770794 0.063274 0.612917 O\n0.462855 0.749850 0.390305 O\n0.373825 0.252319 0.354848 O\n0.461261 0.095863 0.827407 O\n0.991238 0.165570 0.644602 O\n0.149260 0.737010 0.645847 O\n0.538951 0.576593 0.842018 O\n0.961261 0.904137 0.672593 O\n0.416903 0.351503 0.819448 O\n0.378656 0.557950 0.636444 O\n0.791380 0.435597 0.604692 O\n0.461049 0.423407 0.157982 O\n0.229206 0.936726 0.387083 O\n0.873845 0.063704 0.866244 O\n0.037145 0.749850 0.890305 O\n0.038951 0.423407 0.657982 O\n0.916903 0.648497 0.680552 O\n0.626155 0.063704 0.366244 O\n0.508762 0.165570 0.144602 O\n0.126175 0.252319 0.854848 O\n0.538739 0.904137 0.172593 O\n0.719911 0.748135 0.899400 O\n0.373845 0.936296 0.633756 O\n0.649260 0.262990 0.854153 O\n0.270794 0.936726 0.887083 O\n0.961049 0.576593 0.342018 O\n0.038739 0.095863 0.327407 O\n0.291380 0.564403 0.895308 O\n0.537145 0.250150 0.609695 O\n0.850740 0.262990 0.354153 O\n0.878656 0.442050 0.863556 O\n0.583097 0.648497 0.180552 O\n0.873825 0.747681 0.145152 O\n0.708620 0.435597 0.104692 O\n0.208620 0.564403 0.395308 O\n0.219911 0.251865 0.600600 O\n0.008762 0.834430 0.355398 O\n0.962855 0.250150 0.109695 O\n0.083097 0.351503 0.319448 O\n0.121344 0.557950 0.136444 O\n0.350740 0.737010 0.145847 O\n0.621344 0.442050 0.363556 O\n0.780089 0.748135 0.399400 O\n0.491238 0.834430 0.855398 O\n",
"nsites": 76,
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"elements": [
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"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.886893923954033,
"density_atomic": 0.0849801296589567,
"volume": 894.3267126680571,
"volume_molar": 7.086528090940941,
"formula_full": "Li8 Co4 P16 O48",
"formula_reduced": "Li2Co(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -560.85906272,
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"updated_at": "2021-11-28T01:38:25.381000Z",
"spacegroup": 14
},
{
"id": "mp-1249492",
"created_at": "2022-09-04T14:42:03.399626Z",
"structure_string": "Mg8 Fe8 Si12 O48\n1.0\n-5.811761 5.811761 5.846415\n5.811761 -5.811761 5.846415\n5.811761 5.811761 -5.846415\nMg Fe Si O\n8 8 12 48\ndirect\n0.625000 0.253818 0.128818 Mg\n0.125000 0.496182 0.871182 Mg\n0.003818 0.375000 0.128818 Mg\n0.246182 0.875000 0.871182 Mg\n0.125000 0.996182 0.371182 Mg\n0.625000 0.753818 0.628818 Mg\n0.746182 0.875000 0.371182 Mg\n0.503818 0.375000 0.628818 Mg\n0.375000 0.625000 0.250000 Fe\n0.375000 0.125000 0.250000 Fe\n0.875000 0.625000 0.250000 Fe\n0.875000 0.125000 0.250000 Fe\n0.875000 0.625000 0.750000 Fe\n0.375000 0.125000 0.750000 Fe\n0.875000 0.125000 0.750000 Fe\n0.375000 0.625000 0.750000 Fe\n0.750000 0.250000 0.500000 Si\n0.125000 0.750888 0.125888 Si\n0.249112 0.375000 0.374112 Si\n0.625000 0.999112 0.874112 Si\n0.749112 0.375000 0.874112 Si\n0.000888 0.875000 0.625888 Si\n0.250000 0.750000 0.500000 Si\n0.500888 0.875000 0.125888 Si\n0.500000 0.500000 0.000000 Si\n0.625000 0.499112 0.374112 Si\n0.125000 0.250888 0.625888 Si\n0.000000 0.000000 0.000000 Si\n0.565685 0.222024 0.454842 O\n0.982369 0.106939 0.434896 O\n0.577957 0.643061 0.375430 O\n0.498204 0.823461 0.263378 O\n0.751796 0.515173 0.825256 O\n0.972024 0.017183 0.156339 O\n0.860843 0.815685 0.843661 O\n0.297473 0.232369 0.375430 O\n0.265173 0.939917 0.263378 O\n0.856939 0.922043 0.624570 O\n0.984827 0.748204 0.174744 O\n0.393061 0.517631 0.565104 O\n0.676539 0.001796 0.736622 O\n0.573461 0.810083 0.825256 O\n0.952527 0.827957 0.434896 O\n0.482817 0.527976 0.843661 O\n0.672043 0.547473 0.565104 O\n0.684315 0.639157 0.156339 O\n0.689917 0.926539 0.174744 O\n0.767183 0.110843 0.545158 O\n0.277976 0.934315 0.545158 O\n0.267631 0.202527 0.624570 O\n0.560083 0.234827 0.736622 O\n0.389157 0.732817 0.454842 O\n0.184315 0.027976 0.045158 O\n0.767631 0.143061 0.065104 O\n0.172043 0.606939 0.124570 O\n0.251796 0.426539 0.236622 O\n0.998204 0.734827 0.674744 O\n0.777976 0.232817 0.343661 O\n0.889157 0.434315 0.656339 O\n0.452527 0.017631 0.124570 O\n0.484827 0.310083 0.236622 O\n0.893061 0.327957 0.875430 O\n0.765173 0.501796 0.325256 O\n0.356939 0.732369 0.934896 O\n0.073461 0.248204 0.763378 O\n0.176539 0.439917 0.674744 O\n0.797473 0.422043 0.065104 O\n0.267183 0.722024 0.656339 O\n0.077957 0.702527 0.934896 O\n0.065685 0.610843 0.343661 O\n0.060083 0.323461 0.325256 O\n0.982817 0.139157 0.954842 O\n0.472024 0.315685 0.954842 O\n0.482369 0.047473 0.875430 O\n0.189917 0.015173 0.763378 O\n0.360843 0.517183 0.045158 O\n",
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"elements": [
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],
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"density": 3.6709397882230563,
"density_atomic": 0.09621625931876807,
"volume": 789.8872865989225,
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"formula_full": "Mg8 Fe8 Si12 O48",
"formula_reduced": "Mg2Fe2(SiO4)3",
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"spacegroup": 142
},
{
"id": "mp-1214954",
"created_at": "2022-09-04T14:40:16.666167Z",
"structure_string": "Ba8 Y4 V12 O44\n1.0\n0.000000 -7.784274 0.000000\n-12.128020 0.000000 2.835359\n0.020418 0.000000 -11.376599\nBa Y V O\n8 4 12 44\ndirect\n0.275632 0.770874 0.942497 Ba\n0.724368 0.229126 0.057503 Ba\n0.775632 0.229126 0.557503 Ba\n0.224368 0.770874 0.442497 Ba\n0.747432 0.554030 0.889280 Ba\n0.252568 0.445970 0.110720 Ba\n0.247432 0.445970 0.610720 Ba\n0.752568 0.554030 0.389280 Ba\n0.501297 0.997317 0.716215 Y\n0.498703 0.002683 0.283785 Y\n0.001297 0.002683 0.783785 Y\n0.998703 0.997317 0.216215 Y\n0.755713 0.906829 0.976801 V\n0.244287 0.093171 0.023199 V\n0.255713 0.093171 0.523199 V\n0.744287 0.906829 0.476801 V\n0.519488 0.684868 0.672730 V\n0.480512 0.315132 0.327270 V\n0.019488 0.315132 0.827270 V\n0.980512 0.684868 0.172730 V\n0.980998 0.688552 0.672015 V\n0.019002 0.311448 0.327985 V\n0.480998 0.311448 0.827985 V\n0.519002 0.688552 0.172015 V\n0.447353 0.819959 0.716513 O\n0.552647 0.180041 0.283487 O\n0.947353 0.180041 0.783487 O\n0.052647 0.819959 0.216513 O\n0.548399 0.175517 0.804014 O\n0.451601 0.824483 0.195986 O\n0.048399 0.824483 0.695986 O\n0.951601 0.175517 0.304014 O\n0.750461 0.664628 0.666856 O\n0.249539 0.335372 0.333144 O\n0.250461 0.335372 0.833144 O\n0.749539 0.664628 0.166856 O\n0.944681 0.375292 0.966902 O\n0.055319 0.624708 0.033098 O\n0.444681 0.624708 0.533098 O\n0.555319 0.375292 0.466902 O\n0.939864 0.390094 0.731067 O\n0.060136 0.609906 0.268933 O\n0.439864 0.609906 0.768933 O\n0.560136 0.390094 0.231067 O\n0.782996 0.987632 0.625598 O\n0.217004 0.012368 0.374402 O\n0.282996 0.012368 0.874402 O\n0.717004 0.987632 0.125598 O\n0.974538 0.884665 0.975555 O\n0.025462 0.115335 0.024445 O\n0.474538 0.115335 0.524445 O\n0.525462 0.884665 0.475555 O\n0.643669 0.786595 0.946982 O\n0.356331 0.213405 0.053018 O\n0.143669 0.213405 0.553018 O\n0.856331 0.786595 0.446982 O\n0.721062 0.984372 0.864625 O\n0.278938 0.015628 0.135375 O\n0.221062 0.015628 0.635375 O\n0.778938 0.984372 0.364625 O\n0.558258 0.370013 0.718091 O\n0.441742 0.629987 0.281909 O\n0.058258 0.629987 0.781909 O\n0.941742 0.370013 0.218091 O\n0.563634 0.385610 0.960971 O\n0.436366 0.614390 0.039029 O\n0.063634 0.614390 0.539029 O\n0.936366 0.385610 0.460971 O\n",
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"elements": [
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"density": 4.283650046958455,
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"volume": 1073.589382994487,
"volume_molar": 9.507803504168164,
"formula_full": "Ba8 Y4 V12 O44",
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"energy": -571.97582457,
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"spacegroup": 14
},
{
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